2,7-Diamino-9H-fluoren-9-one O-(2-chloroacetyl)oxime
Basic information
- CAS
117850-64-3- Standard SMILES
Nc1ccc2c(c1)C(=NOC(=O)CCl)c1cc(N)ccc1-2- InChIKey
PPLVKLZVXRQLBI-UHFFFAOYSA-N- Molecular formula
- C15H12ClN3O2
- Average molar mass
- 301.73 g/mol
- Monoisotopic mass
- 301.0618043
Names & identifiers
- Preferred name
- 2,7-Diamino-9H-fluoren-9-one O-(2-chloroacetyl)oxime
- IUPAC
- [(2,7-diaminofluoren-9-ylidene)amino] 2-chloroacetate
Names & synonyms
DTXSID0012202332,7-Diamino-9H-fluoren-9-one O-(2-chloroacetyl)oxime2-Chloro-1-{[(2,7-diamino-9H-fluoren-9-ylidene)amino]oxy}ethan-1-one117850-64-3
Database identifiers
- CAS
117850-64-3- PubChem CID
- 85573272
- DTXSID
DTXSID001220233
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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